(2S)-2-amino-3-hydroxy-2-methyl-N-[4-[3-(3-phenylphenyl)propanoyl]phenyl]propanamide

C25H26N2O3 — CID 11682809

IUPAC(2S)-2-amino-3-hydroxy-2-methyl-N-[4-[3-(3-phenylphenyl)propanoyl]phenyl]propanamide
SMILESC[C@](N)(CO)C(=O)Nc1ccc(C(=O)CCc2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C25H26N2O3/c1-25(26,17-28)24(30)27-22-13-11-20(12-14-22)23(29)15-10-18-6-5-9-21(16-18)19-7-3-2-4-8-19/h2-9,11-14,16,28H,10,15,17,26H2,1H3,(H,27,30)/t25-/m0/s1
InChIKeySNAWYORSOYCZTP-VWLOTQADSA-N
MW402.49 g/mol
LogP3.82
Rot. Bonds8

About (2S)-2-amino-3-hydroxy-2-methyl-N-[4-[3-(3-phenylphenyl)propanoyl]phenyl]propanamide

(2S)-2-amino-3-hydroxy-2-methyl-N-[4-[3-(3-phenylphenyl)propanoyl]phenyl]propanamide (PubChem CID 11682809) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-2-methyl-N-[4-[3-(3-phenylphenyl)propanoyl]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-2-methyl-N-[4-[3-(3-phenylphenyl)propanoyl]phenyl]propanamide
PubChem CID11682809
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name(2S)-2-amino-3-hydroxy-2-methyl-N-[4-[3-(3-phenylphenyl)propanoyl]phenyl]propanamide
SMILESC[C@](N)(CO)C(=O)Nc1ccc(C(=O)CCc2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C25H26N2O3/c1-25(26,17-28)24(30)27-22-13-11-20(12-14-22)23(29)15-10-18-6-5-9-21(16-18)19-7-3-2-4-8-19/h2-9,11-14,16,28H,10,15,17,26H2,1H3,(H,27,30)/t25-/m0/s1
InChIKeySNAWYORSOYCZTP-VWLOTQADSA-N
XLogP3.82
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-amino-2-methyl-3-oxo-3-[4-[3-(4-phenylphenyl)propanoyl]anilino]propyl] dihydrogen phosphate
CID 69266346
2-amino-N-[4-(3-butoxyphenyl)phenyl]-3-hydroxy-2-methylpropanamide
CID 73021177
3-(3-hydroxyphenyl)-1-(4-phenylphenyl)propan-1-one
CID 58190197
(2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide
CID 11518212
(2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-(4-phenylphenyl)ethenylsulfinyl]phenyl]propanamide
CID 174538216
2-amino-3-hydroxy-N-[4-(3-methoxyphenoxy)phenyl]-2-methylpropanamide
CID 69268031
2,2-dimethyl-4-oxo-4-[4-[4-(3-phenylpropanoylamino)phenyl]phenyl]butanoic acid
CID 143314249
1-[4-[[(3S)-3-aminopent-1-en-2-yl]amino]phenyl]-3-(4-phenylphenyl)propan-1-one
CID 89340926
3-(3-methylphenyl)-1-phenylpropan-1-one
CID 24725661
1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one
CID 116548233
N-hydroxy-4-[3-(6-oxo-6-phenylhexyl)phenyl]benzamide
CID 142273250
(2S)-2-amino-N-[3-chloro-4-[2-(4-phenylphenyl)ethoxy]-5-(trifluoromethyl)phenyl]-3-hydroxy-2-methylpropanamide
CID 25010719

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-2-methyl-N-[4-[3-(3-phenylphenyl)propanoyl]phenyl]propanamide?
The IUPAC name of (2S)-2-amino-3-hydroxy-2-methyl-N-[4-[3-(3-phenylphenyl)propanoyl]phenyl]propanamide (CID 11682809) is (2S)-2-amino-3-hydroxy-2-methyl-N-[4-[3-(3-phenylphenyl)propanoyl]phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-2-methyl-N-[4-[3-(3-phenylphenyl)propanoyl]phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-hydroxy-2-methyl-N-[4-[3-(3-phenylphenyl)propanoyl]phenyl]propanamide is C[C@](N)(CO)C(=O)Nc1ccc(C(=O)CCc2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of (2S)-2-amino-3-hydroxy-2-methyl-N-[4-[3-(3-phenylphenyl)propanoyl]phenyl]propanamide?
The InChIKey is SNAWYORSOYCZTP-VWLOTQADSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-25(26,17-28)24(30)27-22-13-11-20(12-14-22)23(29)15-10-18-6-5-9-21(16-18)19-7-3-2-4-8-19/h2-9,11-14,16,28H,10,15,17,26H2,1H3,(H,27,30)/t25-/m0/s1.
What are the key properties of (2S)-2-amino-3-hydroxy-2-methyl-N-[4-[3-(3-phenylphenyl)propanoyl]phenyl]propanamide?
(2S)-2-amino-3-hydroxy-2-methyl-N-[4-[3-(3-phenylphenyl)propanoyl]phenyl]propanamide has a molecular weight of 402.49 g/mol, XLogP of 3.82, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy-2-methyl-N-[4-[3-(3-phenylphenyl)propanoyl]phenyl]propanamide is sourced from PubChem (CID 11682809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).